General Information of the Compound
| Compound ID |
CP0088761
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| Compound Name |
(2,3-difluorophenyl)methyl 4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C21H21F2N3O5S
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| Molecular Weight |
465.478
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| Canonical SMILES |
Fc1cccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1F
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| InChI |
InChI=1S/C21H21F2N3O5S/c1-2-19(27)24-16-6-8-17(9-7-16)32(29,30)26-12-10-25(11-13-26)21(28)31-14-15-4-3-5-18(22)20(15)23/h2-9H,1,10-14H2,(H,24,27)
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| InChIKey |
CDKQBMPFADMQPE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound